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The fracture behavior of fiber-ceramics like C/C-SiC strongly depends on the initial damage arising during the production process. We study the transverse cracking of the 90{\deg} ply in [0/90]S cross-ply laminates due to the thermochemical…
Stochastic partial differential equations (SPDEs) represent a very active research field with numerous recent developments and breakthrough results. There are several well-established approaches and methods used to construct solutions for…
Molecular dynamics (MD) simulations of ions (K$^+$, Na$^+$, Ca$^{2+}$ and Cl$^-$) in aqueous solutions are investigated. Water is described using the SPC/E model. A stochastic coarse-grained description for ion behaviour is presented and…
Efficient and stable solution of partial differential equations (PDEs) is central to scientific and engineering applications, yet existing numerical solvers rely heavily on matrix based discretizations, while learning based methods require…
We propose a method for efficiently coupling the finite element method with atomistic simulations, while using molecular dynamics or kinetic Monte Carlo techniques. Our method can dynamically build an optimized unstructured mesh that…
Dissipative particle dynamics (DPD) is a relatively new technique which has proved successful in the simulation of complex fluids. We caution that for the equilibrium achieved by the DPD simulation of a simple fluid the temperature depends…
A template-based generic programming approach was presented in a previous paper that separates the development effort of programming a physical model from that of computing additional quantities, such as derivatives, needed for embedded…
Differential equations (DEs) are commonly used to describe dynamic systems evolving in one (ordinary differential equations or ODEs) or in more than one dimensions (partial differential equations or PDEs). In real data applications the…
Exploiting the framework of peridynamics, a dimensionally-reduced plate formulation is developed that allows for the through-thickness nucleation and growth of fracture surfaces, enabling the treatment of delamination in a lower-dimensional…
The Generalised Langevin Equation (GLE) method, as developed in Ref. [Phys. Rev. B 89, 134303 (2014)], is used to calculate the dissipative dynamics of systems described at the atomic level. The GLE scheme goes beyond the commonly used…
In this thesis, we used dynamical systems analysis to find the qualitative behaviour of some dark energy models. Specifically, dynamical systems analysis of quintessence scalar field models, chameleon scalar field models and holographic…
The Partial Integral Equation (PIE) framework was developed to computationally analyze linear Partial Differential Equations (PDEs) where the PDE is first converted to a PIE and then the analysis problem is solved by solving operator-valued…
FLAME is a software package to perform a wide range of atomistic simulations for exploring the potential energy surfaces (PES) of complex condensed matter systems. The range of methods include molecular dynamics simulations to sample free…
This document presents an analysis of different load balance strategies for a Plasma physics code that models high energy particle beams with PIC method. A comparison of different load balancing algorithms is given: static or dynamic ones.…
The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…
Partial differential equations (PDEs) are used to describe a variety of physical phenomena. Often these equations do not have analytical solutions and numerical approximations are used instead. One of the common methods to solve PDEs is the…
Like many other biological processes, calcium dynamics in neurons containing an endoplasmic reticulum are governed by diffusion-reaction equations on interface-separated domains. Interface conditions are typically described by systems of…
We present a study, within a mean-field approach, of the kinetics of the spin-1 Blume-Capel model on cylindrical Ising nanowire in the presence of a time-dependent oscillating external magnetic field. We employ the Glauber transition rates…
The dynamics of burning plasmas in tokamaks are crucial for advancing controlled thermonuclear fusion. This study applies the NeuralPlasmaODE, a multi-region multi-timescale transport model, to simulate the complex energy transfer processes…
Based directly on the microscopic lattice dynamics, a simple high temperature expansion can be devised for non-equilibrium steady states. We apply this technique to investigate the disordered phase and the phase diagram for a driven bilayer…